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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)' and Monomerid = 50119120   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50119120
PNG
(CHEMBL101941 | N-Butyl-3-[N'-(3-methoxy-4-oxazol-5...)
Show SMILES CCCCNC(=O)c1cccc(NC(Nc2ccc(-c3cnco3)c(OC)c2)=NC#N)c1
Show InChI InChI=1S/C23H24N6O3/c1-3-4-10-26-22(30)16-6-5-7-17(11-16)28-23(27-14-24)29-18-8-9-19(20(12-18)31-2)21-13-25-15-32-21/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,26,30)(H2,27,28,29)
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00600-5
BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair